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88408-43-9 | Acetamide, 2-cyano-N-[4-(1,6-dihydro-6-oxo-3-pyridazinyl)phenyl]-
CAS No: 88408-43-9 Catalog No: AG004HZV MDL No:
Product Description
Catalog Number:
AG004HZV
Chemical Name:
Acetamide, 2-cyano-N-[4-(1,6-dihydro-6-oxo-3-pyridazinyl)phenyl]-
CAS Number:
88408-43-9
Molecular Formula:
C13H10N4O2
Molecular Weight:
254.2441
IUPAC Name:
2-cyano-N-[4-(6-oxo-1H-pyridazin-3-yl)phenyl]acetamide
InChI:
InChI=1S/C13H10N4O2/c14-8-7-12(18)15-10-3-1-9(2-4-10)11-5-6-13(19)17-16-11/h1-6H,7H2,(H,15,18)(H,17,19)
InChI Key:
RESKNIIIBRQHGF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)Nc1ccc(cc1)c1ccc(=O)[nH]n1
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
254.249g/mol
Monoisotopic Mass:
254.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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